1-(N-甲基氨基甲酸酯)-1,5-萘二酚
TL;DR: 1-(N-甲基氨基甲酸酯)-1,5-萘二酚 (CAS 5721-72-2) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(N-甲基氨基甲酸酯)-1,5-萘二酚
(5-hydroxynaphthalen-1-yl) N-methylcarbamate
Also Known As: 5-Hydroxycarbaryl, 5-Hydroxycarboryl, Carbaryl-5-hydroxy, 5-Hydroxy Carbaryl, 5-Hydroxy-1-naphthyl methylcarbamate
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 5721-72-2 |
|---|---|
| SMILES | CNC(=O)OC1=CC=CC2=C1C=CC=C2O |
| InChIKey | MDIMSJGGKSUKJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(N-甲基氨基甲酸酯)-1,5-萘二酚 (CAS 5721-72-2), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: (5-hydroxynaphthalen-1-yl) N-methylcarbamate.
Chemical Property Profile of 1-(N-甲基氨基甲酸酯)-1,5-萘二酚
Property Insights of 1-(N-甲基氨基甲酸酯)-1,5-萘二酚
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(N-甲基氨基甲酸酯)-1,5-萘二酚. With a topological polar surface area (TPSA) of 58.6 Ų, 1-(N-甲基氨基甲酸酯)-1,5-萘二酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(N-甲基氨基甲酸酯)-1,5-萘二酚 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(N-甲基氨基甲酸酯)-1,5-萘二酚?
The CAS number of 1-(N-甲基氨基甲酸酯)-1,5-萘二酚 is 5721-72-2.
What is the molecular formula of 1-(N-甲基氨基甲酸酯)-1,5-萘二酚?
The molecular formula of 1-(N-甲基氨基甲酸酯)-1,5-萘二酚 is C12H11NO3.
What is the molecular weight of 1-(N-甲基氨基甲酸酯)-1,5-萘二酚?
The molecular weight of 1-(N-甲基氨基甲酸酯)-1,5-萘二酚 is 217.07 g/mol.
Where can I buy 1-(N-甲基氨基甲酸酯)-1,5-萘二酚?
You can request a quote for 1-(N-甲基氨基甲酸酯)-1,5-萘二酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(N-甲基氨基甲酸酯)-1,5-萘二酚?
Yes, KEHONG BIO provides custom synthesis services for 1-(N-甲基氨基甲酸酯)-1,5-萘二酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.